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CHEBI:72856 - 5-HETrE

ChEBI IDCHEBI:72856
ChEBI Name5-HETrE
Stars
DefinitionA hydroxyeicosatrienoic acid that consists of 6E,8Z,11Z-eicosatrienoic acid bearing a 5-hydroxy substituent.
Last Modified1 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCCCCC/C=C\C/C=C\C=C\C(O)CCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+
InChIKeyLSADDRSUZRRBAN-SRMUOKRHSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-HETrE (CHEBI:72856) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
5-HETrE (CHEBI:72856) has role metabolite (CHEBI:25212)
5-HETrE (CHEBI:72856) is a HETrE (CHEBI:72793)
Incoming Relation(s)
5(S)-HETrE (CHEBI:88359) is a 5-HETrE (CHEBI:72856)
IUPAC Name 
(6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
Synonyms  Source
5-hydroxy-6E,8Z,11Z-eicosatrienoic acidChEBI
(6E,8Z,11Z)-5-hydroxyeicosa-6,8,11-trienoic acidChEBI
5-hydroxy-6E,8Z,11Z-icosatrienoic acidChEBI